Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | VCP | P55072 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5186144 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP19A1CYP2C9CYP2C19VCP | |
| SCHEMBL5472146 | 0.82 | VCP (0.55) | VCPFAAHKDRFLT1FLT4 | |
| SCHEMBL23539644 | 0.82 | PRKDC (0.51) | FFAR1FAAHKDRATMPRKDC | |
| SCHEMBL14638259 | 0.81 | PRKDC (0.46) | CYP1A2CYP2C9CYP2C19PRKDC | |
| SCHEMBL23554038 | 0.80 | KDM4E (0.49) | CYP1A2CYP19A1CYP2C9CYP2C19CXCR1 | |
| SCHEMBL9954595 | 0.76 | GABRP (0.46) | VCPFFAR1FAAHKDRFLT1 | |
| SCHEMBL30041533 | 0.76 | VCP (0.55) | VCPFFAR1HDAC6HDAC1NPC1 | |
| SCHEMBL23539672 | 0.76 | VCP (0.55) | VCPFFAR1HDAC6HDAC1NPC1 | |
| SCHEMBL5474699 | 0.74 | IGF1R (0.41) | VCPFFAR1NPC1RAB9AMEN1 | |
| SCHEMBL22276810 | 0.74 | NOTUM (0.46) | VCPATMNPC1RAB9APRKDC |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8815909-B2 | Diaminocyclohexane compounds and uses thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-26 | — | — | US | disclosed |